SCHEMBL9213673

SCHEMBL9213673

C=CC(=O)N1CCSc2ccccc2C1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 15/20 0.67
GSK3B P49841 1/20 0.47
KCNH2 Q12809 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ACHE P22303 1/20 0.40
TET3 O43151 1/20 0.40
FBXL19 Q6PCT2 1/20 0.40
CXXC5 Q7LFL8 1/20 0.40
TET1 Q8NFU7 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
CXXC4 Q9H2H0 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
NOTUM Q6P988 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24747276 0.86 RYR2 (0.49) RYR2GSK3BKCNH2KMT2AMEN1
SCHEMBL6866946 0.81 RYR2 (0.72) RYR2
SCHEMBL6867029 0.80 RYR2 (1.00) RYR2KCNH2NOTUM
SCHEMBL7560987 0.80 RYR2 (0.72) RYR2KCNH2NOTUM
SCHEMBL6866477 0.80 RYR2 (0.72) RYR2KCNH2NOTUM
SCHEMBL9635059 0.80 RYR2 (0.72) RYR2KCNH2NOTUM
SCHEMBL13622149 0.79 RYR2 (0.71) RYR2KCNH2KMT2AMEN1
SCHEMBL15672246 0.79 RYR2 (0.65) RYR2KCNH2
SCHEMBL3427146 0.78 RYR2 (1.00) RYR2
SCHEMBL13622102 0.78 RYR2 (0.78) RYR2KCNH2NOTUM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4230681-A None JP disclosed
EP-0565721-B1 1,4-BENZOTHIAZEPINE DERIVATIVE KANEKO NOBORU (JP) 1995-07-26 EP disclosed
US-5416066-A FOR THE PREVENTION OF MYOCARDIAL INFARCTION OR INHIBITING MYOCARDIAL NECROSIS KIRIN BREWERY CO., LTD. (JP) 1995-05-16 US disclosed
EP-0565721-A1 1,4-BENZOTHIAZEPINE DERIVATIVE KANEKO, Noboru (JP) 1993-10-20 EP disclosed
JP-H04230681-A 1,4-BENZOTHIAZEPINE DERIVATIVE KIRIN BREWERY CO LTD 1992-08-19 JP disclosed